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II. |
Experimental thermochemical data
A. | Single molecule | ||
1. | All experimental data for one molecule | ||
2. | Types of data available for one molecule | ||
3. | Summary of geometry data for one molecule | ||
B. | Specific experimental properties | ||
1. | Atomization energies | ||
2. | Vibrational frequencies ![]() | ||
a. | Anharmonic constants for Diatomics ![]() | ||
b. | Anharmonic constants for Triatomics ![]() | ||
3. | Bond lengths ![]() | ||
4. | Bond angles ![]() | ||
5. | Rotational constants ![]() | ||
6. | Experimental barriers to internal rotation ![]() | ||
C. | Reference data | ||
1. | Thermodynamic reference states | ||
2. | List of electronic spin splitting corrections | ||
3. | List of species with experimental enthalpy of formation at 0K | ||
4. | Suggestions for species with well-defined experimental enthalpies of formation | ||
D. | One experimental property for several species | ||
1. | Enthalpy of formation ![]() | ||
2. | Entropy at 298.15K ![]() | ||
3. | Integrated Heat Capacity ![]() | ||
4. | Heat Capacity at 298.15K ![]() | ||
5. | Rotational Constants ![]() | ||
6. | Vibrational Frequencies ![]() | ||
7. | Electric dipole moment ![]() | ||
8. | Ionization Energy ![]() | ||
9. | Polarizability ![]() | ||
10. | Quadrupole ![]() | ||
11. | Point Group |